(1R,2R,10S,13R,15R,18R,19S)-7,7,13,18-tetramethylspiro[6,11,14,16-tetraoxahexacyclo[16.3.1.03,8.010,21.012,20.015,19]docosa-3,8,12(20)-triene-2,2'-oxirane]-5,17-dione

C23H24O7 — CID 139590899

IUPAC(1R,2R,10S,13R,15R,18R,19S)-7,7,13,18-tetramethylspiro[6,11,14,16-tetraoxahexacyclo[16.3.1.03,8.010,21.012,20.015,19]docosa-3,8,12(20)-triene-2,2'-oxirane]-5,17-dione
SMILESC[C@H]1O[C@@H]2OC(=O)[C@]3(C)C[C@@H]4C5C(=C1O[C@H]5C=C1C(=CC(=O)OC1(C)C)[C@@]41CO1)[C@H]23
InChIInChI=1S/C23H24O7/c1-9-18-16-15-12(7-22(4)17(16)19(27-9)29-20(22)25)23(8-26-23)11-6-14(24)30-21(2,3)10(11)5-13(15)28-18/h5-6,9,12-13,15,17,19H,7-8H2,1-4H3/t9-,12-,13+,15?,17-,19-,22-,23+/m1/s1
InChIKeyWCTLLUQPCVNPKU-MUGZIZBGSA-N
MW412.44 g/mol
LogP2.17
Rot. Bonds

About (1R,2R,10S,13R,15R,18R,19S)-7,7,13,18-tetramethylspiro[6,11,14,16-tetraoxahexacyclo[16.3.1.03,8.010,21.012,20.015,19]docosa-3,8,12(20)-triene-2,2'-oxirane]-5,17-dione

(1R,2R,10S,13R,15R,18R,19S)-7,7,13,18-tetramethylspiro[6,11,14,16-tetraoxahexacyclo[16.3.1.03,8.010,21.012,20.015,19]docosa-3,8,12(20)-triene-2,2'-oxirane]-5,17-dione (PubChem CID 139590899) has the molecular formula C23H24O7 and a molecular weight of 412.44 g/mol. Its IUPAC name is (1R,2R,10S,13R,15R,18R,19S)-7,7,13,18-tetramethylspiro[6,11,14,16-tetraoxahexacyclo[16.3.1.03,8.010,21.012,20.015,19]docosa-3,8,12(20)-triene-2,2'-oxirane]-5,17-dione.

Molecular Properties

Compound Name(1R,2R,10S,13R,15R,18R,19S)-7,7,13,18-tetramethylspiro[6,11,14,16-tetraoxahexacyclo[16.3.1.03,8.010,21.012,20.015,19]docosa-3,8,12(20)-triene-2,2'-oxirane]-5,17-dione
PubChem CID139590899
Molecular FormulaC23H24O7
Molecular Weight412.44 g/mol
Exact Mass412.15
IUPAC Name(1R,2R,10S,13R,15R,18R,19S)-7,7,13,18-tetramethylspiro[6,11,14,16-tetraoxahexacyclo[16.3.1.03,8.010,21.012,20.015,19]docosa-3,8,12(20)-triene-2,2'-oxirane]-5,17-dione
SMILESC[C@H]1O[C@@H]2OC(=O)[C@]3(C)C[C@@H]4C5C(=C1O[C@H]5C=C1C(=CC(=O)OC1(C)C)[C@@]41CO1)[C@H]23
InChIInChI=1S/C23H24O7/c1-9-18-16-15-12(7-22(4)17(16)19(27-9)29-20(22)25)23(8-26-23)11-6-14(24)30-21(2,3)10(11)5-13(15)28-18/h5-6,9,12-13,15,17,19H,7-8H2,1-4H3/t9-,12-,13+,15?,17-,19-,22-,23+/m1/s1
InChIKeyWCTLLUQPCVNPKU-MUGZIZBGSA-N
XLogP2.17
TPSA83.59 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.44
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze (1R,2R,10S,13R,15R,18R,19S)-7,7,13,18-tetramethylspiro[6,11,14,16-tetraoxahexacyclo[16.3.1.03,8.010,21.012,20.015,19]docosa-3,8,12(20)-triene-2,2'-oxirane]-5,17-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1R,2R,10S,13R,15R,18R,19S)-7,7,13,18-tetramethylspiro[6,11,14,16-tetraoxahexacyclo[16.3.1.03,8.010,21.012,20.015,19]docosa-3,8,12(20)-triene-2,2'-oxirane]-5,17-dione?
The IUPAC name of (1R,2R,10S,13R,15R,18R,19S)-7,7,13,18-tetramethylspiro[6,11,14,16-tetraoxahexacyclo[16.3.1.03,8.010,21.012,20.015,19]docosa-3,8,12(20)-triene-2,2'-oxirane]-5,17-dione (CID 139590899) is (1R,2R,10S,13R,15R,18R,19S)-7,7,13,18-tetramethylspiro[6,11,14,16-tetraoxahexacyclo[16.3.1.03,8.010,21.012,20.015,19]docosa-3,8,12(20)-triene-2,2'-oxirane]-5,17-dione.
What is the SMILES notation for (1R,2R,10S,13R,15R,18R,19S)-7,7,13,18-tetramethylspiro[6,11,14,16-tetraoxahexacyclo[16.3.1.03,8.010,21.012,20.015,19]docosa-3,8,12(20)-triene-2,2'-oxirane]-5,17-dione?
The canonical SMILES for (1R,2R,10S,13R,15R,18R,19S)-7,7,13,18-tetramethylspiro[6,11,14,16-tetraoxahexacyclo[16.3.1.03,8.010,21.012,20.015,19]docosa-3,8,12(20)-triene-2,2'-oxirane]-5,17-dione is C[C@H]1O[C@@H]2OC(=O)[C@]3(C)C[C@@H]4C5C(=C1O[C@H]5C=C1C(=CC(=O)OC1(C)C)[C@@]41CO1)[C@H]23.
What is the InChIKey of (1R,2R,10S,13R,15R,18R,19S)-7,7,13,18-tetramethylspiro[6,11,14,16-tetraoxahexacyclo[16.3.1.03,8.010,21.012,20.015,19]docosa-3,8,12(20)-triene-2,2'-oxirane]-5,17-dione?
The InChIKey is WCTLLUQPCVNPKU-MUGZIZBGSA-N. The full InChI is InChI=1S/C23H24O7/c1-9-18-16-15-12(7-22(4)17(16)19(27-9)29-20(22)25)23(8-26-23)11-6-14(24)30-21(2,3)10(11)5-13(15)28-18/h5-6,9,12-13,15,17,19H,7-8H2,1-4H3/t9-,12-,13+,15?,17-,19-,22-,23+/m1/s1.
What are the key properties of (1R,2R,10S,13R,15R,18R,19S)-7,7,13,18-tetramethylspiro[6,11,14,16-tetraoxahexacyclo[16.3.1.03,8.010,21.012,20.015,19]docosa-3,8,12(20)-triene-2,2'-oxirane]-5,17-dione?
(1R,2R,10S,13R,15R,18R,19S)-7,7,13,18-tetramethylspiro[6,11,14,16-tetraoxahexacyclo[16.3.1.03,8.010,21.012,20.015,19]docosa-3,8,12(20)-triene-2,2'-oxirane]-5,17-dione has a molecular weight of 412.44 g/mol, XLogP of 2.17, 0 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,10S,13R,15R,18R,19S)-7,7,13,18-tetramethylspiro[6,11,14,16-tetraoxahexacyclo[16.3.1.03,8.010,21.012,20.015,19]docosa-3,8,12(20)-triene-2,2'-oxirane]-5,17-dione is sourced from PubChem (CID 139590899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).